smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)c1ccc(/C=N\c2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)cc1	ZINC000017300170	570871682	/nfs/dbraw/zinc/87/16/82/570871682.db2.gz	WJRISLCESOLFPX-NDENLUEZSA-N	-2	3	370.430	3.609	40	30		FHEBHL
O=C([O-])c1ccc(COc2ccc(/C=N/[O-])cc2Br)cc1	ZINC000409075669	570719022	/nfs/dbraw/zinc/71/90/22/570719022.db2.gz	ZTBOYAMMUYFATL-CAOOACKPSA-N	-2	3	350.168	3.534	40	30		FHEBHL
N#Cc1cc(N=Nc2snc3ccc(S(=O)(=O)[O-])cc32)ccc1[O-]	ZINC000016384313	571177700	/nfs/dbraw/zinc/17/77/00/571177700.db2.gz	DKPBOMXXGHGDSA-WUKNDPDISA-N	-2	3	360.376	3.536	40	30		FHEBHL
COc1cc(Br)cc(/C=N/c2cc([N+](=O)[O-])ccc2[O-])c1[O-]	ZINC000026465282	571149200	/nfs/dbraw/zinc/14/92/00/571149200.db2.gz	UHRKCMLQDAXPPH-FRKPEAEDSA-N	-2	3	367.155	3.528	40	30		FHEBHL
CN(C)c1ccc(/C=N/c2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)cc1	ZINC000001669814	263144206	/nfs/dbraw/zinc/14/42/06/263144206.db2.gz	WJRISLCESOLFPX-UDWIEESQSA-N	-2	3	370.430	3.609	40	30		FHEBHL
CCc1nnc(C2=C([O-])C(=Cc3cc(Cl)ccc3[O-])SC2=N)s1	ZINC000107943018	571310838	/nfs/dbraw/zinc/31/08/38/571310838.db2.gz	RSESGAZFEOLSMV-JCMTWJOCSA-N	-2	3	365.867	3.877	40	30		FHEBHL
O=C1N=C(N2N=C(c3ccccc3)C[C@H]2c2ccccc2[O-])/C(=N/[O-])S1	ZINC000036633745	208168312	/nfs/dbraw/zinc/16/83/12/208168312.db2.gz	VPENRRTVRRIZGF-NNLSSIJJSA-N	-2	3	366.402	3.596	40	30		FHEBHL
Cc1cccc([O-])c1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000003090390	571344655	/nfs/dbraw/zinc/34/46/55/571344655.db2.gz	SNWKNGZNSQVMHJ-FRKPEAEDSA-N	-2	3	351.156	3.828	40	30		FHEBHL
Cc1cc2c(o1)c([O-])c1c(c2[O-])C(=O)C(=O)C2C(C)(C)C(=O)CC[C@]12C	ZINC000064559157	221147469	/nfs/dbraw/zinc/14/74/69/221147469.db2.gz	HFFLVZDJWZPGCS-HXUWFJFHSA-N	-2	3	356.374	3.808	40	30		FHEBHL
O=C1N=C(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2[O-])/C(=N/[O-])S1	ZINC000036633746	571080598	/nfs/dbraw/zinc/08/05/98/571080598.db2.gz	VPENRRTVRRIZGF-GICLCMKGSA-N	-2	3	366.402	3.596	40	30		FHEBHL
COc1ccc(/C=N/c2cc(C(C)C)c([O-])cc2C)cc1S(=O)(=O)[O-]	ZINC000017289632	211183701	/nfs/dbraw/zinc/18/37/01/211183701.db2.gz	CXHADBHCKVFEFS-VXLYETTFSA-N	-2	3	363.435	3.830	40	30		FHEBHL
O=C([O-])c1nc(Cl)c(Cl)c(/N=C/c2ccc([O-])cc2O)c1Cl	ZINC000005568245	570630753	/nfs/dbraw/zinc/63/07/53/570630753.db2.gz	RGJYKDIZPMUTCB-HAVNEIBRSA-N	-2	3	361.568	3.902	40	30		FHEBHL
O=C([O-])c1nc(Cl)c(Cl)c(/N=C/c2ccc(O)cc2[O-])c1Cl	ZINC000005568245	570630754	/nfs/dbraw/zinc/63/07/54/570630754.db2.gz	RGJYKDIZPMUTCB-HAVNEIBRSA-N	-2	3	361.568	3.902	40	30		FHEBHL
O=c1nc(C=Cc2ccc(C=Nc3ccccc3)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000005600772	570631570	/nfs/dbraw/zinc/63/15/70/570631570.db2.gz	KVLSPUYBGOFQKZ-GZKUGWNMSA-N	-2	3	362.345	3.717	40	30		FHEBHL
[O-]C(/C=C/CC([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104206578	222352862	/nfs/dbraw/zinc/35/28/62/222352862.db2.gz	VAKDPITXIDWRMQ-OWOJBTEDSA-N	-2	3	374.121	3.644	40	30		FHEBHL
O=[N+]([O-])c1ccc([O-])c(/C=N/c2nc(-c3ccc(O)cc3[O-])cs2)c1	ZINC000035525491	570606246	/nfs/dbraw/zinc/60/62/46/570606246.db2.gz	YWYMMFCLFDETEL-REZTVBANSA-N	-2	3	357.347	3.586	40	30		FHEBHL
COc1cc(/C=N/N=C/c2cc(Cl)c([O-])c(OC)c2)cc(Cl)c1[O-]	ZINC000002762443	570655904	/nfs/dbraw/zinc/65/59/04/570655904.db2.gz	YBNCXZCXUZNAPZ-OKXCLTPOSA-N	-2	3	369.204	3.875	40	30		FHEBHL
C=CCc1cc(/C=N/[O-])cc(OCC)c1OCc1ccc(C(=O)[O-])cc1	ZINC000409068757	570718557	/nfs/dbraw/zinc/71/85/57/570718557.db2.gz	VDDBNPIITFOJHL-CIAFOILYSA-N	-2	3	355.390	3.899	40	30		FHEBHL
CCc1nnc(C2=C([O-])C(=Cc3cc(Cl)ccc3[O-])SC2=N)s1	ZINC000136672545	570630180	/nfs/dbraw/zinc/63/01/80/570630180.db2.gz	RSESGAZFEOLSMV-FMCCDNIHSA-N	-2	3	365.867	3.877	40	30		FHEBHL
COc1cc(C=Nn2c(=S)[n-]nc2-c2ccccc2)cc(Cl)c1[O-]	ZINC000024037888	568442160	/nfs/dbraw/zinc/44/21/60/568442160.db2.gz	TZMXWQRTSNDREE-GIJQJNRQSA-N	-2	3	360.826	3.857	40	30		FHEBHL
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Cl)c1[O-]	ZINC000137317961	570631148	/nfs/dbraw/zinc/63/11/48/570631148.db2.gz	UWRGRKNMDJRUJF-QRIYPMNQSA-N	-2	3	366.851	3.929	40	30		FHEBHL
COc1cc(C=C2SC(=N)C(c3nccs3)=C2[O-])cc(Cl)c1[O-]	ZINC000033647588	571310668	/nfs/dbraw/zinc/31/06/68/571310668.db2.gz	UWRGRKNMDJRUJF-FCWFZMKMSA-N	-2	3	366.851	3.929	40	30		FHEBHL
[O-]C(/C=C\CC([O-])(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000104206574	222352950	/nfs/dbraw/zinc/35/29/50/222352950.db2.gz	VAKDPITXIDWRMQ-UPHRSURJSA-N	-2	3	374.121	3.644	40	30		FHEBHL